SCHEMBL28798409

SCHEMBL28798409

NN(C(=O)NC1CCCCC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.68
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
EPHX1 P07099 3/20 0.51
EPHX2 P34913 2/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 5/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9547523 0.87 PKM (0.71) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL11537146 0.87 PKM (0.71) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL10537868 0.85 PKM (0.69) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL27874519 0.84 EPHX1 (0.61) PKMRAB9ASMN1; SMN2EPHX1GAA
SCHEMBL28207670 0.81 PKM (0.68) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL19527789 0.81 PKM (0.44) PKMRAB9ALMNAALDH1A1KMT2A
SCHEMBL11254288 0.79 PKM (0.66) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL3483068 0.78 PKM (0.60) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL18388053 0.78 PKM (0.58) PKMRAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL11422598 0.78 PKM (0.58) PKMRAB9ASMN1; SMN2EPHX1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471339-A Pyrrolopyridine inhibitors of kinases ABBOTT LAB 2012-05-23 CN claimed
CN-102471339-A Pyrrolopyridine inhibitors of kinases ABBOTT LAB 2012-05-23 CN disclosed